methyl 5-cyclohexylpiperidine-2-carboxylate

C13H23NO2 — CID 146049469

IUPACmethyl 5-cyclohexylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C2CCCCC2)CN1
InChIInChI=1S/C13H23NO2/c1-16-13(15)12-8-7-11(9-14-12)10-5-3-2-4-6-10/h10-12,14H,2-9H2,1H3
InChIKeyDHYLCTZYMLYWLD-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds2

About methyl 5-cyclohexylpiperidine-2-carboxylate

methyl 5-cyclohexylpiperidine-2-carboxylate (PubChem CID 146049469) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 5-cyclohexylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclohexylpiperidine-2-carboxylate
PubChem CID146049469
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 5-cyclohexylpiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(C2CCCCC2)CN1
InChIInChI=1S/C13H23NO2/c1-16-13(15)12-8-7-11(9-14-12)10-5-3-2-4-6-10/h10-12,14H,2-9H2,1H3
InChIKeyDHYLCTZYMLYWLD-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclohexylpiperidine-2-carboxylate?
The IUPAC name of methyl 5-cyclohexylpiperidine-2-carboxylate (CID 146049469) is methyl 5-cyclohexylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 5-cyclohexylpiperidine-2-carboxylate?
The canonical SMILES for methyl 5-cyclohexylpiperidine-2-carboxylate is COC(=O)C1CCC(C2CCCCC2)CN1.
What is the InChIKey of methyl 5-cyclohexylpiperidine-2-carboxylate?
The InChIKey is DHYLCTZYMLYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-13(15)12-8-7-11(9-14-12)10-5-3-2-4-6-10/h10-12,14H,2-9H2,1H3.
What are the key properties of methyl 5-cyclohexylpiperidine-2-carboxylate?
methyl 5-cyclohexylpiperidine-2-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclohexylpiperidine-2-carboxylate is sourced from PubChem (CID 146049469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).